(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine

C18H24N2 — CID 138486150

IUPAC(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
SMILESC=C(C)CC(=C)/C=C\C=C/C(/C=N\C(=C)/C=C/C)=N/C
InChIInChI=1S/C18H24N2/c1-7-10-17(5)20-14-18(19-6)12-9-8-11-16(4)13-15(2)3/h7-12,14H,2,4-5,13H2,1,3,6H3/b10-7+,11-8-,12-9-,19-18-,20-14+
InChIKeyVZUWRIHKCKYXGQ-RAPRDLGTSA-N
MW268.40 g/mol
LogP4.85
Rot. Bonds8

About (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine

(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine (PubChem CID 138486150) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine.

Molecular Properties

Compound Name(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
PubChem CID138486150
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
SMILESC=C(C)CC(=C)/C=C\C=C/C(/C=N\C(=C)/C=C/C)=N/C
InChIInChI=1S/C18H24N2/c1-7-10-17(5)20-14-18(19-6)12-9-8-11-16(4)13-15(2)3/h7-12,14H,2,4-5,13H2,1,3,6H3/b10-7+,11-8-,12-9-,19-18-,20-14+
InChIKeyVZUWRIHKCKYXGQ-RAPRDLGTSA-N
XLogP4.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine with MolForge

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Related Compounds

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CID 123938860
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CID 130336733
(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine?
The IUPAC name of (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine (CID 138486150) is (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine.
What is the SMILES notation for (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine?
The canonical SMILES for (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine is C=C(C)CC(=C)/C=C\C=C/C(/C=N\C(=C)/C=C/C)=N/C.
What is the InChIKey of (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine?
The InChIKey is VZUWRIHKCKYXGQ-RAPRDLGTSA-N. The full InChI is InChI=1S/C18H24N2/c1-7-10-17(5)20-14-18(19-6)12-9-8-11-16(4)13-15(2)3/h7-12,14H,2,4-5,13H2,1,3,6H3/b10-7+,11-8-,12-9-,19-18-,20-14+.
What are the key properties of (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine?
(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine has a molecular weight of 268.40 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine is sourced from PubChem (CID 138486150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).